SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_013402814.1 NCBI__GCF_000166355.1:WP_013402814.1 to proteins with known functional sites using BLASTp with E ≤ 0.001.

Or try Sites on a Tree, PaperBLAST, Conserved Domains, or compare to all protein structures

Found 20 (the maximum) hits to proteins with known functional sites (download)

P07821 Iron(3+)-hydroxamate import ATP-binding protein FhuC; Ferric hydroxamate uptake protein C; Ferrichrome transport ATP-binding protein FhuC; Iron(III)-hydroxamate import ATP-binding protein FhuC; EC 7.2.2.16 from Escherichia coli (strain K12) (see 2 papers)
33% identity, 57% coverage: 23:254/410 of query aligns to 32:264/265 of P07821

query
sites
P07821

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K50 (= K41) mutation to Q: Lack of activity.
D172 (= D163) mutation to E: Lack of activity.
E173 (= E164) mutation to A: Lack of activity.

4ymuJ Crystal structure of an amino acid abc transporter complex with arginines and atps (see paper)
34% identity, 50% coverage: 23:226/410 of query aligns to 22:224/240 of 4ymuJ

query
sites
4ymuJ

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binding adenosine-5'-triphosphate: S36 (≠ N37), G37 (= G38), S38 (= S39), G39 (= G40), K40 (= K41), S41 (= S42), T42 (= T43), E162 (= E164), H194 (= H196)
binding magnesium ion: S41 (= S42), E162 (= E164)

Sites not aligning to the query:

binding adenosine-5'-triphosphate: 11, 16

6mjpA Lptb(e163q)fgc from vibrio cholerae (see paper)
30% identity, 57% coverage: 3:235/410 of query aligns to 3:233/240 of 6mjpA

query
sites
6mjpA

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binding calcium ion: E111 (= E114), D115 (≠ I118)

4u00A Crystal structure of ttha1159 in complex with adp (see paper)
32% identity, 50% coverage: 23:228/410 of query aligns to 23:226/241 of 4u00A

query
sites
4u00A

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binding adenosine-5'-diphosphate: S37 (≠ N37), G38 (= G38), S39 (= S39), G40 (= G40), K41 (= K41), S42 (= S42), T43 (= T43)

Sites not aligning to the query:

binding adenosine-5'-diphosphate: 12, 17

3c4jA Abc protein artp in complex with atp-gamma-s
31% identity, 49% coverage: 27:228/410 of query aligns to 28:228/242 of 3c4jA

query
sites
3c4jA

E

E

G

G

K

E

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Y

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I

G

G

P

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binding phosphothiophosphoric acid-adenylate ester: S38 (≠ N37), G39 (= G38), S40 (= S39), G41 (= G40), K42 (= K41), S43 (= S42), T44 (= T43)

Sites not aligning to the query:

binding phosphothiophosphoric acid-adenylate ester: 13, 18

3c41J Abc protein artp in complex with amp-pnp/mg2+
31% identity, 49% coverage: 27:228/410 of query aligns to 28:228/242 of 3c41J

query
sites
3c41J

E

E

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K

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V

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H

S

A

S

Y

I

P

L

D

K

S

I

L

S

S

G

G

E

Q

R

A

Q

Q

R

R

T

V

S

A

F

I

A

A

R

R

V

A

L

L

A

A

Q

M

S

E

S

P

K

K

V

I

L

M

L

L

F

F

D
|
D

E

E

P

P

N

T

S

S

S

A

L

L

D

D

I

P

S

E

H

M

Q

V

E

G

K

E

I

V

L

L

R

S

I

V

A

M

K

K

Q

Q

E

L

A

A

L

N

D

E

G

G

K

M

I

T

V

M

I

V

M

V

A

V

I

T

H

H

N

E

L

M

K

G

I

F

A

A

A

R

K

E

V

V

C

G

D

D

S

R

V

V

I

L

M

F

M

M

K

D

D

G

G

G

K

Y

I

I

V

I

D

E

I

E

G

G

R

K

P

P

D

E

E

D

V

L

L

F

N

D

Q

R

binding phosphoaminophosphonic acid-adenylate ester: S38 (≠ N37), G39 (= G38), G41 (= G40), K42 (= K41), S43 (= S42), T44 (= T43)
binding magnesium ion: S43 (= S42), D163 (= D163)

Sites not aligning to the query:

binding phosphoaminophosphonic acid-adenylate ester: 13, 18

2olkA Abc protein artp in complex with adp-beta-s
31% identity, 49% coverage: 27:228/410 of query aligns to 28:228/242 of 2olkA

query
sites
2olkA

E

E

G

G

K

E

V

V

Y

V

G

V

F

V

V

I

G

G

P

P

N
x
S

G
|
G

S
|
S

G
|
G

K
|
K

S
|
S

T
|
T

L

F

I

L

K

R

A

C

L

L

A

N

G

L

L

L

V

E

K

D

I

F

F

D

E

E

G

G

R

E

I

I

C

I

F

I

G

D

E

G

V

I

Q

N

I

L

-

K

S

A

K

K

L

D

S

T

D

N

I

L

E

N

R

K

A

V

K

R

L

E

I

E

S

V

Y

G

M

M

P

V

Q

F

H

Q

I

R

F

F

S

N

S

L

F

F

P

P

-

H

F

M

T

T

V

V

L

L

D

N

V

N

V

I

M

T

M

L

G

A

R

P

F

M

P

-

Y

-

E

-

K

K

S

V

R

R

F

K

F

W

A

P

T

R

Y

E

E

K

S

A

K

E

K

A

I

K

A

A

E

M

E

E

K

L

I

L

E

D

Q

K

V

V

D

G

L

L

S

K

S

D

K

K

K

A

L

H

S

A

S

Y

I

P

L

D

K

S

I

L

S

S

G

G

E

Q

R

A

Q

Q

R

R

T

V

S

A

F

I

A

A

R

R

V

A

L

L

A

A

Q

M

S

E

S

P

K

K

V

I

L

M

L

L

F

F

D

D

E

E

P

P

N

T

S

S

S

A

L

L

D

D

I

P

S

E

H

M

Q

V

E

G

K

E

I

V

L

L

R

S

I

V

A

M

K

K

Q

Q

E

L

A

A

L

N

D

E

G

G

K

M

I

T

V

M

I

V

M

V

A

V

I

T

H

H

N

E

L

M

K

G

I

F

A

A

A

R

K

E

V

V

C

G

D

D

S

R

V

V

I

L

M

F

M

M

K

D

D

G

G

G

K

Y

I

I

V

I

D

E

I

E

G

G

R

K

P

P

D

E

E

D

V

L

L

F

N

D

Q

R

binding 5'-o-[(r)-hydroxy(thiophosphonooxy)phosphoryl]adenosine: S38 (≠ N37), G39 (= G38), S40 (= S39), G41 (= G40), K42 (= K41), S43 (= S42), T44 (= T43)

Sites not aligning to the query:

binding 5'-o-[(r)-hydroxy(thiophosphonooxy)phosphoryl]adenosine: 13, 18

2oljA Abc protein artp in complex with adp/mg2+
31% identity, 49% coverage: 27:228/410 of query aligns to 28:228/242 of 2oljA

query
sites
2oljA

E

E

G

G

K

E

V

V

Y

V

G

V

F

V

V

I

G

G

P

P

N
x
S

G
|
G

S
|
S

G
|
G

K
|
K

S
|
S

T
|
T

L

F

I

L

K

R

A

C

L

L

A

N

G

L

L

L

V

E

K

D

I

F

F

D

E

E

G

G

R

E

I

I

C

I

F

I

G

D

E

G

V

I

Q

N

I

L

-

K

S

A

K

K

L

D

S

T

D

N

I

L

E

N

R

K

A

V

K

R

L

E

I

E

S

V

Y

G

M

M

P

V

Q

F

H

Q

I

R

F

F

S

N

S

L

F

F

P

P

-

H

F

M

T

T

V

V

L

L

D

N

V

N

V

I

M

T

M

L

G

A

R

P

F

M

P

-

Y

-

E

-

K

K

S

V

R

R

F

K

F

W

A

P

T

R

Y

E

E

K

S

A

K

E

K

A

I

K

A

A

E

M

E

E

K

L

I

L

E

D

Q

K

V

V

D

G

L

L

S

K

S

D

K

K

K

A

L

H

S

A

S

Y

I

P

L

D

K

S

I

L

S

S

G

G

E

Q

R

A

Q

Q

R

R

T

V

S

A

F

I

A

A

R

R

V

A

L

L

A

A

Q

M

S

E

S

P

K

K

V

I

L

M

L

L

F

F

D

D

E

E

P

P

N

T

S

S

S

A

L

L

D

D

I

P

S

E

H

M

Q

V

E

G

K

E

I

V

L

L

R

S

I

V

A

M

K

K

Q

Q

E

L

A

A

L

N

D

E

G

G

K

M

I

T

V

M

I

V

M

V

A

V

I

T

H

H

N

E

L

M

K

G

I

F

A

A

A

R

K

E

V

V

C

G

D

D

S

R

V

V

I

L

M

F

M

M

K

D

D

G

G

G

K

Y

I

I

V

I

D

E

I

E

G

G

R

K

P

P

D

E

E

D

V

L

L

F

N

D

Q

R

binding adenosine-5'-diphosphate: S38 (≠ N37), G39 (= G38), S40 (= S39), G41 (= G40), K42 (= K41), S43 (= S42), T44 (= T43)

Sites not aligning to the query:

binding adenosine-5'-diphosphate: 13, 18

8hf7B Cryo-em structure of coma bound to its mature substrate csp peptide (see paper)
32% identity, 54% coverage: 9:228/410 of query aligns to 338:553/563 of 8hf7B

query
sites
8hf7B

K

K

C

Y

G

G

Y

Y

S

G

Y

R

P

D

I

V

V

L

E

S

V

-

D

D

G

I

R

N

L

L

K

T

F

V

E

P

E

Q

G

G

K

S

V

K

Y

V

G

A

F

F

V

V

G

G

P

I

N

S

G

G

S

S

G

G

K

K

S

T

T

T

L

L

I

A

K

K

A

M

L

M

A

V

G

N

L

F

V

Y

K

D

I

P

F

S

E

Q

G

G

R

E

I

I

C

S

F

L

G

G

E

G

V

V

Q

N

I

L

S

N

K

Q

L

I

S

D

D

K

I

K

E

A

R

L

A

R

K

Q

L

Y

I

I

S

N

Y

Y

M

L

P

P

Q

Q

H

Q

I

P

F

Y

S

V

S

-

F

F

P

N

F

G

T

T

V

I

L

L

D

E

V

N

V

L

M

L

G

G

R

-

F

-

P

A

Y

K

E

E

K

G

S

T

R

T

F

Q

F

E

A

D

T

I

Y

L

E

R

S

A

K

V

K

E

I

L

A

A

E

E

-

I

-

R

E

E

K

D

I

I

E

E

Q

R

V

M

D

P

L

L

S

N

-

Y

-

Q

S

T

K

E

K

L

L

T

S

S

S

D

I

G

L

A

K

G

I

I

S

S

G

G

E

Q

R

R

Q

Q

R

R

T

I

S

A

F

L

A

A

R

R

V

A

L

L

A

L

Q

T

S

D

S

A

K

P

V

V

L

L

L

I

F

L

D

D

E

E

P

A

N

T

S

S

L

L

D

D

I

I

S

L

H

T

Q

E

E

K

K

R

I

I

L

-

R

-

I

V

A

D

K

N

Q

L

E

I

A

A

L

L

D

D

G

K

K

T

I

L

V

I

I

F

M

I

A

A

I

-

H

H

N

R

L

L

K

T

I

I

A

A

A

E

K

R

V

-

C

T

D

E

S

K

V

V

I

V

M

V

M

L

K

D

D

Q

G

G

K

K

I

I

V

V

D

E

I

E

G

G

R

K

P

H

D

A

E

D

V

L

L

L

N

A

Q

Q

Sites not aligning to the query:

binding : 278, 282

6s8nB Cryo-em structure of lptb2fgc in complex with lipopolysaccharide (see paper)
29% identity, 57% coverage: 2:235/410 of query aligns to 2:233/238 of 6s8nB

query
sites
6s8nB

S

T

L

L

F

T

V

A

E

K

N

N

L

L

K

A

C

K

G

A

Y

Y

S

K

Y

G

P

R

I

R

V

V

E

V

V

E

D

D

G

V

R

S

L

L

K

T

F

V

E

N

E

S

G

G

K

E

V

I

Y

V

G

G

F

L

V

L

G

G

P

P

N

N

G

G

S

A

G

G

K

K

S

T

T

T

L

T

I

F

K

Y

A

M

L

V

A

V

G

G

L

I

V

V

K

P

I

R

F

D

E

A

G

G

R

N

I

I

C

I

F

I

G

D

E

D

V

D

Q

D

I

I

S

S

K

L

L

L

S

P

D

L

I

H

E

A

R

R

A

A

K

R

L

R

-

G

I

I

S

G

Y

Y

M

L

P

P

Q

Q

H

E

I

A

F

S

S

I

S

F

F
x
R

P

R

F

L

T

S

V

V

L

Y

D

D

V

N

V

L

M

M

M

A

G

-

R

-

F

-

P

V

Y

L

E

Q

K

I

S

R

R

D

F

D

F

L

A

S

T

A

Y

E

E

Q

S

R

K

E

K

D

I

R

A

A

E

N

E

E

K

L

I

M

E

E

Q

E

V

F

D

H

L

I

S

E

S

H

K

L

K

R

L

D

S

S

S
x
M

I
x
G

L
x
Q

K

S

I

L

S

S

G

G

E

E

R

R

Q

R

R

R

T

V

S

E

F

I

A

A

R

R

V

A

L

L

A

A

Q

A

S

N

S

P

K

K

V

F

L

I

L

L

F

L

D

D

E

E

P

P

N

F

S

A

S

G

L

V

D

D

I

P

S

I

H

S

Q

V

E

I

K

D

I

I

L

K

R

R

I

I

A

I

K

E

Q

H

E

L

A

R

L

D

D

S

G

G

K

L

I

G

V

V

I

L

M

I

A

T

I

D

H

H

N

N

L

V

K

R

I

E

A

T

A

L

K

A

V

V

C

C

D

E

S

R

V

A

I

Y

M

I

M

V

K

S

D

Q

G

G

K

H

I

L

V

I

D

A

I

H

G

G

R

T

P

P

D

T

E

E

V

I

L

L

N

Q

Q

D

Q

E

N

H

I

V

K

K

K

R

V

V

Y

Y

binding 2-decyl-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione: R90 (≠ F89), M133 (≠ S135), G134 (≠ I136), Q135 (≠ L137)

6s8gA Cryo-em structure of lptb2fgc in complex with amp-pnp (see paper)
29% identity, 57% coverage: 2:235/410 of query aligns to 2:233/238 of 6s8gA

query
sites
6s8gA

S

T

L

L

F

T

V

A

E

K

N

N

L

L

K

A

C

K

G

A

Y
|
Y

S

K

Y

G

P
x
R

I

R

V

V

E

V

V

E

D

D

G

V

R

S

L

L

K

T

F

V

E

N

E

S

G

G

K

E

V

I

Y

V

G

G

F

L

V

L

G

G

P

P

N
|
N

G

G

S

A

G
|
G

K
|
K

S
x
T

T
|
T

L

T

I

F

K

Y

A

M

L

V

A

V

G

G

L

I

V

V

K

P

I

R

F

D

E

A

G

G

R

N

I

I

C

I

F

I

G

D

E

D

V

D

Q

D

I

I

S

S

K

L

L

L

S

P

D

L

I

H

E

A

R

R

A

A

K

R

L

R

-

G

I

I

S

G

Y

Y

M

L

P

P

Q
|
Q

H

E

I

A

F

S

S

I

S

F

F

R

P

R

F

L

T

S

V

V

L

Y

D

D

V

N

V

L

M

M

M

A

G

-

R

-

F

-

P

V

Y

L

E

Q

K

I

S

R

R

D

F

D

F

L

A

S

T

A

Y

E

E

Q

S

R

K

E

K

D

I

R

A

A

E

N

E

E

K

L

I

M

E

E

Q

E

V

F

D

H

L

I

S

E

S

H

K

L

K

R

L

D

S

S

S

M

I

G

L

Q

K
x
S

I

L

S
|
S

G

G

E
|
E

R

R

Q

R

R

R

T

V

S

E

F

I

A

A

R

R

V

A

L

L

A

A

Q

A

S

N

S

P

K

K

V

F

L

I

L

L

F

L

D

D

E

E

P

P

N

F

S

A

S

G

L

V

D

D

I

P

S

I

H

S

Q

V

E

I

K

D

I

I

L

K

R

R

I

I

A

I

K

E

Q

H

E

L

A

R

L

D

D

S

G

G

K

L

I

G

V

V

I

L

M

I

A

T

I

D

H

H

N

N

L

V

K

R

I

E

A

T

A

L

K

A

V

V

C

C

D

E

S

R

V

A

I

Y

M

I

M

V

K

S

D

Q

G

G

K

H

I

L

V

I

D

A

I

H

G

G

R

T

P

P

D

T

E

E

V

I

L

L

N

Q

Q

D

Q

E

N

H

I

V

K

K

K

R

V

V

Y

Y

binding phosphoaminophosphonic acid-adenylate ester: Y12 (= Y12), R15 (≠ P15), N37 (= N37), G40 (= G40), K41 (= K41), T42 (≠ S42), T43 (= T43), Q84 (= Q83), S136 (≠ K138), S138 (= S140), E141 (= E143)

6b8bA E. Coli lptb in complex with adp and a novobiocin derivative (see paper)
29% identity, 57% coverage: 2:235/410 of query aligns to 2:233/233 of 6b8bA

query
sites
6b8bA

S

T

L

L

F

T

V

A

E

K

N

N

L

L

K

A

C

K

G

A

Y
|
Y

S

K

Y

G

P
x
R

I

R

V
|
V

E

V

V

E

D

D

G

V

R

S

L

L

K

T

F

V

E

N

E

S

G

G

K

E

V

I

Y

V

G

G

F

L

V

L

G

G

P

P

N

N

G
|
G

S

A

G
|
G

K
|
K

S
x
T

T
|
T

L

T

I

F

K

Y

A

M

L

V

A

V

G

G

L

I

V

V

K

P

I

R

F

D

E

A

G

G

R

N

I

I

C

I

F

I

G

D

E

D

V

D

Q

D

I

I

S

S

K

L

L

L

S

P

D

L

I

H

E

A

R

R

A

A

K

R

L

R

-

G

I

I

S

G

Y

Y

M

L

P

P

Q

Q

H

E

I

A

F

S

S

I

S
x
F

F
x
R

P
x
R

F

L

T

S

V

V

L

Y

D

D

V

N

V

L

M

M

M

A

G

-

R

-

F

-

P

V

Y

L

E

Q

K

I

S

R

R

D

F

D

F

L

A

S

T

A

Y

E

E

Q

S

R

K

E

K

D

I

R

A

A

E

N

E

E

K

L

I

M

E

E

Q

E

V

F

D

H

L

I

S

E

S

H

K

L

K

R

L

D

S

S

S

M

I

G

L

Q

K

S

I

L

S

S

G

G

E

E

R

R

Q

R

R

R

T

V

S

E

F

I

A

A

R

R

V

A

L

L

A

A

Q

A

S

N

S

P

K

K

V

F

L

I

L

L

F

L

D

D

E

E

P

P

N

F

S

A

S

G

L

V

D

D

I

P

S

I

H

S

Q

V

E

I

K

D

I

I

L

K

R

R

I

I

A

I

K

E

Q

H

E

L

A

R

L

D

D

S

G

G

K

L

I

G

V

V

I

L

M

I

A

T

I

D

H

H

N

N

L

V

K

R

I

E

A

T

A

L

K

A

V

V

C

C

D

E

S

R

V

A

I

Y

M

I

M

V

K

S

D

Q

G

G

K

H

I

L

V

I

D

A

I

H

G

G

R

T

P

P

D

T

E

E

V

I

L

L

N

Q

Q

D

Q

E

N

H

I

V

K

K

K

R

V

V

Y

Y

binding adenosine-5'-diphosphate: Y12 (= Y12), R15 (≠ P15), V17 (= V17), G38 (= G38), G40 (= G40), K41 (= K41), T42 (≠ S42), T43 (= T43)
binding (3s,5s,7s)-N-{7-[(3-O-carbamoyl-6-deoxy-5-methyl-4-O-methyl-beta-D-gulopyranosyl)oxy]-4-hydroxy-8-methyl-2-oxo-2H-1-benzopyran-3-yl}tricyclo[3.3.1.1~3,7~]decane-1-carboxamide: F89 (≠ S88), R90 (≠ F89), R91 (≠ P90)

6mhzA Vanadate trapped cryo-em structure of e.Coli lptb2fg transporter (see paper)
29% identity, 57% coverage: 2:235/410 of query aligns to 2:233/235 of 6mhzA

query
sites
6mhzA

S

T

L

L

F

T

V

A

E

K

N

N

L

L

K

A

C

K

G

A

Y
|
Y

S

K

Y

G

P

R

I

R

V

V

E

V

V

E

D

D

G

V

R

S

L

L

K

T

F

V

E

N

E

S

G

G

K

E

V

I

Y

V

G

G

F

L

V

L

G

G

P

P

N
|
N

G
|
G

S

A

G
|
G

K
|
K

S
x
T

T
|
T

L

T

I

F

K

Y

A

M

L

V

A

V

G

G

L

I

V

V

K

P

I

R

F

D

E

A

G

G

R

N

I

I

C

I

F

I

G

D

E

D

V

D

Q

D

I

I

S

S

K

L

L

L

S

P

D

L

I

H

E

A

R

R

A

A

K

R

L

R

-

G

I

I

S

G

Y

Y

M

L

P

P

Q
|
Q

H

E

I

A

F

S

S

I

S

F

F

R

P

R

F

L

T

S

V

V

L

Y

D

D

V

N

V

L

M

M

M

A

G

-

R

-

F

-

P

V

Y

L

E

Q

K

I

S

R

R

D

F

D

F

L

A

S

T

A

Y

E

E

Q

S

R

K

E

K

D

I

R

A

A

E

N

E

E

K

L

I

M

E

E

Q

E

V

F

D

H

L

I

S

E

S

H

K

L

K

R

L

D

S

S

S

M

I

G

L

Q

K
x
S

I

L

S
|
S

G
|
G

E

E

R

R

Q

R

R

R

T

V

S

E

F

I

A

A

R

R

V

A

L

L

A

A

Q

A

S

N

S

P

K

K

V

F

L

I

L

L

F

L

D

D

E
|
E

P

P

N

F

S

A

S
x
G

L

V

D

D

I

P

S

I

H

S

Q

V

E

I

K

D

I

I

L

K

R

R

I

I

A

I

K

E

Q

H

E

L

A

R

L

D

D

S

G

G

K

L

I

G

V

V

I

L

M

I

A

T

I

D

H
|
H

N

N

L

V

K

R

I

E

A

T

A

L

K

A

V

V

C

C

D

E

S

R

V

A

I

Y

M

I

M

V

K

S

D

Q

G

G

K

H

I

L

V

I

D

A

I

H

G

G

R

T

P

P

D

T

E

E

V

I

L

L

N

Q

Q

D

Q

E

N

H

I

V

K

K

K

R

V

V

Y

Y

binding adp orthovanadate: Y12 (= Y12), N37 (= N37), G38 (= G38), G40 (= G40), K41 (= K41), T42 (≠ S42), T43 (= T43), Q84 (= Q83), S136 (≠ K138), S138 (= S140), G139 (= G141), G140 (= G142), E162 (= E164), G166 (≠ S168), H194 (= H196)

6b89A E. Coli lptb in complex with adp and novobiocin (see paper)
29% identity, 57% coverage: 2:235/410 of query aligns to 2:233/234 of 6b89A

query
sites
6b89A

S

T

L

L

F

T

V

A

E

K

N

N

L

L

K

A

C

K

G

A

Y
|
Y

S

K

Y

G

P
x
R

I

R

V
|
V

E

V

V

E

D

D

G

V

R

S

L

L

K

T

F

V

E

N

E

S

G

G

K

E

V

I

Y

V

G

G

F

L

V

L

G

G

P

P

N
|
N

G
|
G

S

A

G
|
G

K
|
K

S
x
T

T
|
T

L

T

I

F

K

Y

A

M

L

V

A

V

G

G

L

I

V

V

K

P

I

R

F

D

E

A

G

G

R

N

I

I

C

I

F

I

G

D

E

D

V

D

Q

D

I

I

S

S

K

L

L

L

S

P

D
x
L

I
x
H

E

A

R

R

A

A

K

R

L

R

-

G

I

I

S

G

Y

Y

M

L

P
|
P

Q
|
Q

H

E

I
x
A

F
x
S

S

I

S
x
F

F
x
R

P
x
R

F
x
L

T

S

V

V

L

Y

D

D

V

N

V

L

M

M

M

A

G

-

R

-

F

-

P
x
V

Y

L

E

Q

K

I

S

R

R

D

F

D

F

L

A

S

T

A

Y

E

E

Q

S

R

K

E

K

D

I

R

A

A

E

N

E

E

K

L

I

M

E

E

Q

E

V

F

D

H

L

I

S

E

S

H

K

L

K

R

L

D

S

S

S

M

I

G

L
x
Q

K

S

I

L

S

S

G

G

E

E

R

R

Q

R

R

R

T

V

S

E

F

I

A

A

R
|
R

V

A

L

L

A

A

Q

A

S

N

S

P

K

K

V

F

L

I

L

L

F

L

D

D

E

E

P

P

N

F

S

A

S

G

L

V

D

D

I

P

S

I

H

S

Q

V

E

I

K

D

I

I

L

K

R

R

I

I

A

I

K

E

Q

H

E

L

A

R

L

D

D

S

G

G

K

L

I

G

V

V

I

L

M

I

A

T

I

D

H

H

N

N

L

V

K

R

I

E

A

T

A

L

K

A

V

V

C

C

D

E

S

R

V

A

I

Y

M

I

M

V

K

S

D

Q

G

G

K

H

I

L

V

I

D

A

I

H

G

G

R

T

P

P

D

T

E

E

V

I

L

L

N

Q

Q

D

Q

E

N

H

I

V

K

K

K

R

V

V

Y

Y

binding adenosine-5'-diphosphate: Y12 (= Y12), R15 (≠ P15), V17 (= V17), N37 (= N37), G38 (= G38), G40 (= G40), K41 (= K41), T42 (≠ S42), T43 (= T43)
binding magnesium ion: T42 (≠ S42), Q84 (= Q83)
binding novobiocin: L71 (≠ D71), H72 (≠ I72), P83 (= P82), A86 (≠ I85), S87 (≠ F86), F89 (≠ S88), R90 (≠ F89), R91 (≠ P90), L92 (≠ F91), V101 (≠ P103), Q135 (≠ L137), R149 (= R151)

4p31A Crystal structure of a selenomethionine derivative of e. Coli lptb in complex with adp-magensium (see paper)
29% identity, 57% coverage: 2:235/410 of query aligns to 2:233/234 of 4p31A

query
sites
4p31A

S

T

L

L

F

T

V

A

E

K

N

N

L

L

K

A

C

K

G

A

Y
|
Y

S

K

Y

G

P
x
R

I

R

V
|
V

E

V

V

E

D

D

G

V

R

S

L

L

K

T

F

V

E

N

E

S

G

G

K

E

V

I

Y

V

G

G

F

L

V

L

G

G

P

P

N

N

G
|
G

S

A

G
|
G

K
|
K

S
x
T

T
|
T

L

T

I

F

K

Y

A

M

L

V

A

V

G

G

L

I

V

V

K

P

I

R

F

D

E

A

G

G

R

N

I

I

C

I

F

I

G

D

E

D

V

D

Q

D

I

I

S

S

K

L

L

L

S

P

D

L

I

H

E

A

R

R

A

A

K

R

L

R

-

G

I

I

S

G

Y

Y

M

L

P

P

Q
|
Q

H

E

I

A

F

S

S

I

S

F

F

R

P

R

F

L

T

S

V

V

L

Y

D

D

V

N

V

L

M

M

M

A

G

-

R

-

F

-

P

V

Y

L

E

Q

K

I

S

R

R

D

F

D

F

L

A

S

T

A

Y

E

E

Q

S

R

K

E

K

D

I

R

A

A

E

N

E

E

K

L

I

M

E

E

Q

E

V

F

D

H

L

I

S

E

S

H

K

L

K

R

L

D

S

S

S

M

I

G

L

Q

K

S

I

L

S

S

G

G

E

E

R

R

Q

R

R

R

T

V

S

E

F

I

A

A

R

R

V

A

L

L

A

A

Q

A

S

N

S

P

K

K

V

F

L

I

L

L

F

L

D

D

E

E

P

P

N

F

S

A

S

G

L

V

D

D

I

P

S

I

H

S

Q

V

E

I

K

D

I

I

L

K

R

R

I

I

A

I

K

E

Q

H

E

L

A

R

L

D

D

S

G

G

K

L

I

G

V

V

I

L

M

I

A

T

I

D

H

H

N

N

L

V

K

R

I

E

A

T

A

L

K

A

V

V

C

C

D

E

S

R

V

A

I

Y

M

I

M

V

K

S

D

Q

G

G

K

H

I

L

V

I

D

A

I

H

G

G

R

T

P

P

D

T

E

E

V

I

L

L

N

Q

Q

D

Q

E

N

H

I

V

K

K

K

R

V

V

Y

Y

binding adenosine-5'-diphosphate: Y12 (= Y12), R15 (≠ P15), V17 (= V17), G38 (= G38), G40 (= G40), K41 (= K41), T42 (≠ S42), T43 (= T43)
binding magnesium ion: T42 (≠ S42), Q84 (= Q83)

8hf4A Cryo-em structure of nucleotide-bound coma at outward-facing state with ec gate closed conformation (see paper)
32% identity, 54% coverage: 9:228/410 of query aligns to 338:553/563 of 8hf4A

query
sites
8hf4A

K

K

C
x
Y

G

G

Y

Y

S

G

Y

R

P

D

I

V

V

L

E

S

V

-

D

D

G

I

R

N

L

L

K

T

F

V

E

P

E

Q

G

G

K

S

V

K

Y

V

G

A

F

F

V

V

G

G

P

I

N
x
S

G
|
G

S
|
S

G
|
G

K
|
K

S
x
T

T
|
T

L

L

I

A

K

K

A

M

L

M

A

V

G

N

L

F

V

Y

K

D

I

P

F

S

E

Q

G

G

R

E

I

I

C

S

F

L

G

G

E

G

V

V

Q

N

I

L

S

N

K

Q

L

I

S

D

D

K

I

K

E

A

R

L

A

R

K

Q

L

Y

I

I

S

N

Y

Y

M

L

P

P

Q
|
Q

H

Q

I

P

F

Y

S

-

S

V

F

F

P

N

F

G

T

T

V

I

L

L

D

E

V

N

V

L

M

L

G

G

R

-

F

-

P

A

Y

K

E

E

K

G

S

T

R

T

F

Q

F

E

A

D

T

I

Y

L

E

R

S

A

K

V

K

E

I

L

A

A

E

E

-

I

-

R

E

E

K

D

I

I

E

E

Q

R

V

M

D

P

L

L

S

N

-

Y

-

Q

S

T

K

E

K

L

L

T

S

S

S

D

I

G

L

A

K

G

I

I

S

S

G

G

E

Q

R

R

Q

Q

R

R

T

I

S

A

F

L

A

A

R

R

V

A

L

L

A

L

Q

T

S

D

S

A

K

P

V

V

L

I

F

L

D

D

E

E

P

A

N

T

S

S

L

L

D

D

I

I

S

L

H

T

Q

E

E

K

K

R

I

I

L

-

R

-

I

V

A

D

K

N

Q

L

E

I

A

A

L

L

D

D

G

K

K

T

I

L

V

I

I

F

M

I

A

A

I

-

H

H

N

R

L

L

K

T

I

I

A

A

A

E

K

R

V

-

C

T

D

E

S

K

V

V

I

V

M

V

M

L

K

D

D

Q

G

G

K

K

I

I

V

V

D

E

I

E

G

G

R

K

P

H

D

A

E

D

V

L

L

L

N

A

Q

Q

binding phosphothiophosphoric acid-adenylate ester: Y339 (≠ C10), S365 (≠ N37), G366 (= G38), S367 (= S39), G368 (= G40), K369 (= K41), T370 (≠ S42), T371 (= T43), Q411 (= Q83)

6mbnA Lptb e163q in complex with atp (see paper)
29% identity, 57% coverage: 2:235/410 of query aligns to 3:234/241 of 6mbnA

query
sites
6mbnA

S

T

L

L

F

T

V

A

E

K

N

N

L

L

K

A

C

K

G

A

Y
|
Y

S

K

Y

G

P
x
R

I

R

V
|
V

E

V

V

E

D

D

G

V

R

S

L

L

K

T

F

V

E

N

E

S

G

G

K

E

V

I

Y

V

G

G

F

L

V

L

G

G

P

P

N
|
N

G
|
G

S

A

G
|
G

K
|
K

S
x
T

T
|
T

L

T

I

F

K

Y

A

M

L

V

A

V

G

G

L

I

V

V

K

P

I

R

F

D

E

A

G

G

R

N

I

I

C

I

F

I

G

D

E

D

V

D

Q

D

I

I

S

S

K

L

L

L

S

P

D

L

I

H

E

A

R

R

A

A

K

R

L

R

-

G

I

I

S

G

Y

Y

M

L

P

P

Q

Q

H

E

I

A

F

S

S

I

S

F

F

R

P

R

F

L

T

S

V

V

L

Y

D

D

V

N

V

L

M

M

M

A

G

-

R

-

F

-

P

V

Y

L

E

Q

K

I

S

R

R

D

F

D

F

L

A

S

T

A

Y

E

E

Q

S

R

K

E

K

D

I

R

A

A

E

N

E

E

K

L

I

M

E

E

Q

E

V

F

D

H

L

I

S

E

S

H

K

L

K

R

L

D

S

S

S

M

I

G

L

Q

K

S

I

L

S

S

G

G

E

E

R

R

Q

R

R

R

T

V

S

E

F

I

A

A

R

R

V

A

L

L

A

A

Q

A

S

N

S

P

K

K

V

F

L

I

L

L

F

L

D

D

E

Q

P

P

N

F

S

A

S

G

L

V

D

D

I

P

S

I

H

S

Q

V

E

I

K

D

I

I

L

K

R

R

I

I

A

I

K

E

Q

H

E

L

A

R

L

D

D

S

G

G

K

L

I

G

V

V

I

L

M

I

A

T

I

D

H
|
H

N

N

L

V

K

R

I

E

A

T

A

L

K

A

V

V

C

C

D

E

S

R

V

A

I

Y

M

I

M

V

K

S

D

Q

G

G

K

H

I

L

V

I

D

A

I

H

G

G

R

T

P

P

D

T

E

E

V

I

L

L

N

Q

Q

D

Q

E

N

H

I

V

K

K

K

R

V

V

Y

Y

binding adenosine-5'-triphosphate: Y13 (= Y12), R16 (≠ P15), V18 (= V17), N38 (= N37), G39 (= G38), G41 (= G40), K42 (= K41), T43 (≠ S42), T44 (= T43), H195 (= H196)

8k7aA Cryo-em structure of nucleotide-bound coma e647q mutant with mg2+ (see paper)
31% identity, 54% coverage: 9:228/410 of query aligns to 338:553/563 of 8k7aA

query
sites
8k7aA

K

K

C
x
Y

G

G

Y

Y

S

G

Y

R

P

D

I

V

V

L

E

S

V

-

D

D

G

I

R

N

L

L

K

T

F

V

E

P

E

Q

G

G

K

S

V

K

Y

V

G

A

F

F

V

V

G

G

P

I

N

S

G

G

S

S

G
|
G

K
|
K

S
x
T

T
|
T

L

L

I

A

K

K

A

M

L

M

A

V

G

N

L

F

V

Y

K

D

I

P

F

S

E

Q

G

G

R

E

I

I

C

S

F

L

G

G

E

G

V

V

Q

N

I

L

S

N

K

Q

L

I

S

D

D

K

I

K

E

A

R

L

A

R

K

Q

L

Y

I

I

S

N

Y

Y

M

L

P

P

Q
|
Q

H

Q

I

P

F

Y

S

-

S

V

F

F

P

N

F

G

T

T

V

I

L

L

D

E

V

N

V

L

M

L

G

G

R

-

F

-

P

A

Y

K

E

E

K

G

S

T

R

T

F

Q

F

E

A

D

T

I

Y

L

E

R

S

A

K

V

K

E

I

L

A

A

E

E

-

I

-

R

E

E

K

D

I

I

E

E

Q

R

V

M

D

P

L

L

S

N

-

Y

-

Q

S

T

K

E

K

L

L

T

S

S

S

D

I

G

L

A

K
x
G

I

I

S
|
S

G

G

E

Q

R

R

Q

Q

R

R

T

I

S

A

F

L

A

A

R

R

V

A

L

L

A

L

Q

T

S

D

S

A

K

P

V

V

L

I

F

L

D

D

E

Q

P

A

N

T

S

S

L

L

D

D

I

I

S

L

H

T

Q

E

E

K

K

R

I

I

L

-

R

-

I

V

A

D

K

N

Q

L

E

I

A

A

L

L

D

D

G

K

K

T

I

L

V

I

I

F

M

I

A

A

I

-

H

H

N

R

L

L

K

T

I

I

A

A

A

E

K

R

V

-

C

T

D

E

S

K

V

V

I

V

M

V

M

L

K

D

D

Q

G

G

K

K

I

I

V

V

D

E

I

E

G

G

R

K

P

H

D

A

E

D

V

L

L

L

N

A

Q

Q

binding adenosine-5'-triphosphate: Y339 (≠ C10), G368 (= G40), K369 (= K41), T370 (≠ S42), T371 (= T43), G467 (≠ K138), S469 (= S140)
binding magnesium ion: T370 (≠ S42), Q411 (= Q83)

8hf6A Cryo-em structure of nucleotide-bound coma e647q mutant (see paper)
31% identity, 54% coverage: 9:228/410 of query aligns to 338:553/563 of 8hf6A

query
sites
8hf6A

K

K

C
x
Y

G

G

Y

Y

S

G

Y

R

P

D

I
x
V

V

L

E

S

V

-

D

D

G

I

R

N

L

L

K

T

F

V

E

P

E

Q

G

G

K

S

V

K

Y

V

G

A

F

F

V

V

G

G

P

I

N
x
S

G
|
G

S

S

G
|
G

K
|
K

S
x
T

T
|
T

L

L

I

A

K

K

A

M

L

M

A

V

G

N

L

F

V

Y

K

D

I

P

F

S

E

Q

G

G

R

E

I

I

C

S

F

L

G

G

E

G

V

V

Q

N

I

L

S

N

K

Q

L

I

S

D

D

K

I

K

E

A

R

L

A

R

K

Q

L

Y

I

I

S

N

Y

Y

M

L

P

P

Q
|
Q

H

Q

I

P

F

Y

S

-

S

V

F

F

P

N

F

G

T

T

V

I

L

L

D

E

V

N

V

L

M

L

G

G

R

-

F

-

P

A

Y

K

E

E

K

G

S

T

R

T

F

Q

F

E

A

D

T

I

Y

L

E

R

S

A

K

V

K

E

I

L

A

A

E

E

-

I

-

R

E

E

K

D

I

I

E

E

Q

R

V

M

D

P

L

L

S

N

-

Y

-

Q

S

T

K

E

K

L

L

T

S

S

S

D

I

G

L

A

K

G

I

I

S

S

G

G

E

Q

R

R

Q

Q

R

R

T

I

S

A

F

L

A

A

R

R

V

A

L

L

A

L

Q

T

S

D

S

A

K

P

V

V

L

I

F

L

D

D

E

Q

P

A

N

T

S

S

L

L

D

D

I

I

S

L

H

T

Q

E

E

K

K

R

I

I

L

-

R

-

I

V

A

D

K

N

Q

L

E

I

A

A

L

L

D

D

G

K

K

T

I

L

V

I

I

F

M

I

A

A

I

-

H

H

N

R

L

L

K

T

I

I

A

A

A

E

K

R

V

-

C

T

D

E

S

K

V

V

I

V

M

V

M

L

K

D

D

Q

G

G

K

K

I

I

V

V

D

E

I

E

G

G

R

K

P

H

D

A

E

D

V

L

L

L

N

A

Q

Q

binding adenosine-5'-triphosphate: Y339 (≠ C10), V345 (≠ I16), S365 (≠ N37), G366 (= G38), G368 (= G40), K369 (= K41), T370 (≠ S42), T371 (= T43), Q411 (= Q83)

7z15I E. Coli c-p lyase bound to a phnk/phnl dual abc dimer and adp + pi (see paper)
27% identity, 55% coverage: 3:227/410 of query aligns to 4:233/253 of 7z15I

query
sites
7z15I

L

L

F

S

V

V

E

N

N

N

L

L

K

T

C

H

G

L

Y
|
Y

S

A

Y

P

P

G

I
x
K

V
x
G

E

F

V

S

D

D

G

V

R

S

L

F

K

D

F

L

E

W

E

P

G

G

K

E

V

V

Y

L

G

G

F

I

V

V

G

G

P

E

N
x
S

G
|
G

S

S

G
|
G

K
|
K

S
x
T

T
|
T

L

L

I

L

K

K

A

S

L

I

A

S

G

A

L

R

V

L

K

T

I

P

F

Q

E

Q

G

G

R

E

I

I

C

H

F

Y

G

E

E

N

V

R

Q

S

I

L

S

Y

K

A

L

M

S

S

D

E

I

A

E

D

R

R

A

R

K

R

L

L

I

L

-

R

-

T

-

E

-

W

S

G

Y

V

M

V

P

H

Q
|
Q

H

H

I

P

F

L

S

D

S

G

F

L

P

R

F

R

T

Q

V

V

L

S

D

A

V

G

M

N

M

I

G

G

-

E

R

R

F

L

P

M

Y

A

E

T

K

G

S

A

R

R

F

H

F

Y

A

G

T

-

Y

-

E

D

S

I

K

R

K

A

I

T

A

A

E

Q

E

K

K

W

I

L

E

E

Q

E

V

V

D

E

L

I

S

P

S

A

K

N

K
x
R

L

I

S

D

I

L

-

P

L

T

K
x
T

I

F

S
|
S

G

G

E
x
M

R

Q

Q

Q

R

R

T

L

S

Q

F

I

A

A

R

R

V

N

L

L

A

V

Q

T

S

H

S

P

K

K

V

L

L

V

L

F

F

M

D

D

E

E

P

P

N

T

S

G